UCSF

ZINC40405639

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.37 12.74 -47.9 1 4 1 31 393.338 8
Hi High (pH 8-9.5) 5.37 10.64 -6.68 0 4 0 30 392.33 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )